2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

C14H8F3N3O2 — CID 2744772

IUPAC2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-5-3-9(4-6-11)12-19-20-13(21-12)10-2-1-7-18-8-10/h1-8H
InChIKeyPLAXNDABGPUEFV-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.70
Rot. Bonds3

About 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole

2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 2744772) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID2744772
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-5-3-9(4-6-11)12-19-20-13(21-12)10-2-1-7-18-8-10/h1-8H
InChIKeyPLAXNDABGPUEFV-UHFFFAOYSA-N
XLogP3.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
Pyridine, 3-[5-[4-[(3-methyl-2-butenyl)oxy]phenyl]-2-oxazolyl]-
CID 617263
3-Cyclobutyl-7-{[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10045080
5-[5-[(Phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-2-(2,2,2-trifluoroethoxy)pyridine
CID 2746462
4-[5-(4-Ethoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647166
4-[5-(4-Isobutoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647974
3-[5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 750773
2-(3,4-Diethoxyphenyl)-5-(pyridin-4-yl)-1,3,4-oxadiazole
CID 856470
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
2-[6-(2,2,2-Trifluoroethoxy)-3-pyridinyl]-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 2746465
4-[5-(4-Propoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 647581

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 2744772) is 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)(F)Oc1ccc(-c2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is PLAXNDABGPUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)22-11-5-3-9(4-6-11)12-19-20-13(21-12)10-2-1-7-18-8-10/h1-8H.
What are the key properties of 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 307.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).